REMARK  Name = BDB005985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.915   0.688   0.454  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -2.979  -0.053   0.950  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.057  -0.545   2.060  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -3.993  -0.161  -0.118  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -3.435   0.461  -1.250  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -4.115   0.524  -2.455  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -5.380  -0.050  -2.522  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.940  -0.672  -1.392  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -5.256  -0.740  -0.158  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -2.071   0.990  -0.954  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.295   1.038   1.362  0.00  0.00    -0.298 NA
ATOM     12  C   LIG    1        1.597  -0.220   1.663  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1        0.264  -0.387   0.931  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -0.645   0.825   1.169  0.00  0.00    +0.079 C 
ATOM     15  C   LIG    1        0.093   2.125   0.839  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        1.421   2.195   1.592  0.00  0.00    +0.086 C 
BRANCH  11  17
ATOM     17  C   LIG    1        2.915   1.062   0.025  0.00  0.00    +0.119 C 
BRANCH  17  20
ATOM     18  C   LIG    1        3.114  -1.012  -2.188  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.186  -0.848  -1.148  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        4.091   0.107  -0.112  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        5.145   0.206   0.818  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        6.260  -0.626   0.740  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.345  -1.571  -0.275  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.317  -1.681  -1.211  0.00  0.00    +0.003 A 
ENDBRANCH  17  20
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  25
ATOM     25  C   LIG    1       -5.982  -1.423   0.951  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1       -7.042  -2.005   0.738  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1       -5.484  -1.395   2.215  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -4.541  -1.083   2.443  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -5.961  -1.945   2.915  0.00  0.00    +0.145 HD
ENDBRANCH   9  25
TORSDOF 4